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(Z)-N-tert-Butoxycarbonyl-2-ethoxycarbonyldehydrotryptophan Methyl ester
SpectraBase Compound ID KP8pftet8sC
InChI InChI=1S/C20H24N2O6/c1-6-27-18(24)16-13(12-9-7-8-10-14(12)21-16)11-15(17(23)26-5)22-19(25)28-20(2,3)4/h7-11,21H,6H2,1-5H3,(H,22,25)/b15-11-
InChIKey TXNUQYKEGANUIQ-PTNGSMBKSA-N
Mol Weight 388.42 g/mol
Molecular Formula C20H24N2O6
Exact Mass 388.163436 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HD42sAZ7Nhy
Name (Z)-N-tert-Butoxycarbonyl-2-ethoxycarbonyldehydrotryptophan Methyl ester
Alternate Name(s) 3-[(Z)-3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylic acid ethyl ester ethyl 3-[(Z)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxoprop-1-enyl]-1H-indole-2-carboxylate ethyl 3-[(Z)-2-(tert-butoxycarbonylamino)-3-methoxy-3-oxo-prop-1-enyl]-1H-indole-2-carboxylate ethyl 3-[(Z)-3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-prop-1-enyl]-1H-indole-2-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C20H24N2O6
InChI InChI=1S/C20H24N2O6/c1-6-27-18(24)16-13(12-9-7-8-10-14(12)21-16)11-15(17(23)26-5)22-19(25)28-20(2,3)4/h7-11,21H,6H2,1-5H3,(H,22,25)/b15-11-
InChIKey TXNUQYKEGANUIQ-PTNGSMBKSA-N
Molecular Weight 388.420 g/mol
SMILES [nH]1c2c(c(\C=C/(NC(OC(C)(C)C)=O)C(=O)OC)c1C(=O)OCC)cccc2
SPLASH splash10-000i-0094000000-800fd7133f36080cfd65
Source of Spectrum E1-42-837-18
Wiley ID 1552500